9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

C12H16ClN3O3 — CID 133479114

IUPAC9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ncc(Cl)c(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C12H16ClN3O3/c1-17-11-14-6-9(13)10(15-11)16-3-5-19-12(7-16)2-4-18-8-12/h6H,2-5,7-8H2,1H3
InChIKeyJSEQXBGRGUEFIO-UHFFFAOYSA-N
MW285.73 g/mol
LogP1.13
Rot. Bonds2

About 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane

9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (PubChem CID 133479114) has the molecular formula C12H16ClN3O3 and a molecular weight of 285.73 g/mol. Its IUPAC name is 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.

Molecular Properties

Compound Name9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
PubChem CID133479114
Molecular FormulaC12H16ClN3O3
Molecular Weight285.73 g/mol
Exact Mass285.09
IUPAC Name9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
SMILESCOc1ncc(Cl)c(N2CCOC3(CCOC3)C2)n1
InChIInChI=1S/C12H16ClN3O3/c1-17-11-14-6-9(13)10(15-11)16-3-5-19-12(7-16)2-4-18-8-12/h6H,2-5,7-8H2,1H3
InChIKeyJSEQXBGRGUEFIO-UHFFFAOYSA-N
XLogP1.13
TPSA56.71 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 51.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane with MolForge

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Related Compounds

7-(2,5-dichloropyrimidin-4-yl)-4-oxa-7-azaspiro[2.5]octane
CID 172608340
9-(2,5,6-trimethylpyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133479181
1-(5-chloro-2-methoxypyrimidin-4-yl)-4-methylazepan-4-ol
CID 107407533
9-(3-methylquinoxalin-2-yl)-2,6-dioxa-9-azaspiro[4.5]decane
CID 133493903
2-(bromomethyl)-4-(5-chloro-2-methoxypyrimidin-4-yl)morpholine
CID 81210414
4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79632898
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-ol
CID 80711574
1-(5-chloro-2-methoxypyrimidin-4-yl)-3-propylazetidin-3-ol
CID 80753167
[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]methanol
CID 80710491
methyl 2-(2,6-dioxa-9-azaspiro[4.5]decan-9-yl)pyrimidine-4-carboxylate
CID 137498664
2-[1-(5-chloro-2-methoxypyrimidin-4-yl)piperidin-4-yl]ethanamine
CID 80753257
1-(5-chloro-2-methoxypyrimidin-4-yl)piperidine-4-carboxylic acid
CID 80758601

Frequently Asked Questions

What is the IUPAC name of 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The IUPAC name of 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane (CID 133479114) is 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane.
What is the SMILES notation for 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The canonical SMILES for 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is COc1ncc(Cl)c(N2CCOC3(CCOC3)C2)n1.
What is the InChIKey of 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
The InChIKey is JSEQXBGRGUEFIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16ClN3O3/c1-17-11-14-6-9(13)10(15-11)16-3-5-19-12(7-16)2-4-18-8-12/h6H,2-5,7-8H2,1H3.
What are the key properties of 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane?
9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane has a molecular weight of 285.73 g/mol, XLogP of 1.13, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-(5-chloro-2-methoxypyrimidin-4-yl)-2,6-dioxa-9-azaspiro[4.5]decane is sourced from PubChem (CID 133479114), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).